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ESTRA-1,3,5(10)-TRIENE-3,4-DIOL-17-ONE
SpectraBase Compound ID DzOGGyjVh8L
InChI InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
InChIKey XQZVQQZZOVBNLU-QDTBLXIISA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol
Enantiomer InChIKey XQZVQQZZOVBNLU-PZOITXESSA-N
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Source of Spectrum Dr. Makin, London Hospital Medical College, UK
  • (8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
  • 3,4-DIHYDROXYESTRA-1(10),2,4-TRIEN-17-ONE

This compound is available in the following databases:

Mass Spectra of Physiologically Active Substances - including drugs, steroid hormones,and endocrine disruptors 2011

Author: Parr, Maria Kristina; Opfermann, Georg; Schänzer, Wilhelm; Makin, Hugh L. J.

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